4-chloranylquinazoline; 3,5-dimethyl-4-quinazolin-4-yl-piperazine-1-carboxylic acid

Systemtic Name: 4-chloranylquinazoline; 3,5-dimethyl-4-quinazolin-4-yl-piperazine-1-carboxylic acid Openeye Name: 4-chloroquinazoline; 3,5-dimethyl-4-quinazolin-4-yl-piperazine-1-carboxylic acid CAS Name: 4-chloroquinazoline; 3,5-dimethyl-4-(4-quinazolinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-chloroquinazoline; 3,5-dimethyl-4-quinazolin-4-ylpiperazine-1-carboxylic acid Traditional Name: 4-chloroquinazoline; 3,5-dimethyl-4-quinazolin-4-yl-piperazine-1-carboxylic acid Formula: C23H23ClN6O2 MolecularWeight: 450.92072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=NC3=CC=CC=C32)C)C(=O)O.C1=CC=C2C(=C1)C(=NC=N2)Cl

Isomeric SMILES

CC1CN(CC(N1C2=NC=NC3=CC=CC=C32)C)C(=O)O.C1=CC=C2C(=C1)C(=NC=N2)Cl

InChI

InChI=1S/C15H18N4O2.C8H5ClN2/c1-10-7-18(15(20)21)8-11(2)19(10)14-12-5-3-4-6-13(12)16-9-17-14;9-8-6-3-1-2-4-7(6)10-5-11-8/h3-6,9-11H,7-8H2,1-2H3,(H,20,21);1-5H